[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate

C16H18FN5O2 — CID 68940335

IUPAC[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate
SMILESCC(=O)OCc1nc2c(N)nc3cccnc3c2n1CC(C)(C)F
InChIInChI=1S/C16H18FN5O2/c1-9(23)24-7-11-21-13-14(22(11)8-16(2,3)17)12-10(20-15(13)18)5-4-6-19-12/h4-6H,7-8H2,1-3H3,(H2,18,20)
InChIKeyLWSILPPHBKWPOK-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.37
Rot. Bonds4

About [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate

[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate (PubChem CID 68940335) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate
PubChem CID68940335
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate
SMILESCC(=O)OCc1nc2c(N)nc3cccnc3c2n1CC(C)(C)F
InChIInChI=1S/C16H18FN5O2/c1-9(23)24-7-11-21-13-14(22(11)8-16(2,3)17)12-10(20-15(13)18)5-4-6-19-12/h4-6H,7-8H2,1-3H3,(H2,18,20)
InChIKeyLWSILPPHBKWPOK-UHFFFAOYSA-N
XLogP2.37
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid
CID 91268307
1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 143051742
1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 91308676
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol
CID 143284375
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate?
The IUPAC name of [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate (CID 68940335) is [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate.
What is the SMILES notation for [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate?
The canonical SMILES for [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate is CC(=O)OCc1nc2c(N)nc3cccnc3c2n1CC(C)(C)F.
What is the InChIKey of [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate?
The InChIKey is LWSILPPHBKWPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-9(23)24-7-11-21-13-14(22(11)8-16(2,3)17)12-10(20-15(13)18)5-4-6-19-12/h4-6H,7-8H2,1-3H3,(H2,18,20).
What are the key properties of [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate?
[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate has a molecular weight of 331.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate is sourced from PubChem (CID 68940335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).